propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate

C29H32N2O3 — CID 160779180

IUPACpropan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
SMILESCCCCC(Oc1ccc2nc(-c3ccccc3)n(-c3ccc(C)cc3)c2c1)C(=O)OC(C)C
InChIInChI=1S/C29H32N2O3/c1-5-6-12-27(29(32)33-20(2)3)34-24-17-18-25-26(19-24)31(23-15-13-21(4)14-16-23)28(30-25)22-10-8-7-9-11-22/h7-11,13-20,27H,5-6,12H2,1-4H3
InChIKeySAIQPHQSYKANBY-UHFFFAOYSA-N
MW456.59 g/mol
LogP6.89
Rot. Bonds9

About propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate

propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate (PubChem CID 160779180) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
PubChem CID160779180
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Namepropan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
SMILESCCCCC(Oc1ccc2nc(-c3ccccc3)n(-c3ccc(C)cc3)c2c1)C(=O)OC(C)C
InChIInChI=1S/C29H32N2O3/c1-5-6-12-27(29(32)33-20(2)3)34-24-17-18-25-26(19-24)31(23-15-13-21(4)14-16-23)28(30-25)22-10-8-7-9-11-22/h7-11,13-20,27H,5-6,12H2,1-4H3
InChIKeySAIQPHQSYKANBY-UHFFFAOYSA-N
XLogP6.89
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid
CID 142668346
methyl 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoate
CID 172762449
2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid
CID 142668347
methyl 2-(2,3-diphenylbenzimidazol-5-yl)oxypropanoate
CID 10270610
2-(2,3-diphenylbenzimidazol-5-yl)oxy-3-methylbutanoic acid
CID 67365280
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate
CID 15296815
propan-2-yl 6-[6-hydroxy-1-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67363707
6-hexoxy-2-(3-methylphenyl)-1-phenylbenzimidazole
CID 141037240
5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
CID 15296805
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672618

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate?
The IUPAC name of propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate (CID 160779180) is propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate.
What is the SMILES notation for propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate?
The canonical SMILES for propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate is CCCCC(Oc1ccc2nc(-c3ccccc3)n(-c3ccc(C)cc3)c2c1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate?
The InChIKey is SAIQPHQSYKANBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-5-6-12-27(29(32)33-20(2)3)34-24-17-18-25-26(19-24)31(23-15-13-21(4)14-16-23)28(30-25)22-10-8-7-9-11-22/h7-11,13-20,27H,5-6,12H2,1-4H3.
What are the key properties of propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate?
propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate has a molecular weight of 456.59 g/mol, XLogP of 6.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(4-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate is sourced from PubChem (CID 160779180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).